Take in .mzML file.
Basic Data Concept
├── Experiment ├── Sample ├── MassTrack ├── Peak ├── Peak ├── MassTrack ├── Peak ├── Peak ... ├── Sample ... ├── Sample
A sample here corresponds to an inhection file in LC-MS experiments.
A MassTrack is an extracted chromatogram for a specific m/z measurement, governing full retention time. Therefore, a Mass Track may include multiple mass traces.
compared to mummichog, asari generate directly from input data.
mummichog maps whole database into 0-2000 m/z.
Get Thousandth bins
- filter less than min_timepoints
- combine adjacent bins
chromatograms.py line 215: ppm of mz * 1000?